iterations/neb0_image05_iter10_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145080105796E+04 0.14508E+04 -0.44214E+04 330 0.697E+02
DAV: 2 0.232719111628E+03 -0.12181E+04 -0.11432E+04 417 0.163E+02
DAV: 3 -0.361044216092E+03 -0.59376E+03 -0.59054E+03 345 0.114E+02
DAV: 4 -0.433185083563E+03 -0.72141E+02 -0.71899E+02 309 0.516E+01
DAV: 5 -0.434832385271E+03 -0.16473E+01 -0.16445E+01 318 0.798E+00 0.426E+01
DAV: 6 -0.388946995144E+03 0.45885E+02 -0.14715E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385488481246E+03 0.34585E+01 -0.13295E+01 345 0.784E+00 0.104E+01
DAV: 8 -0.384052112417E+03 0.14364E+01 -0.19309E+00 336 0.384E+00 0.439E+00
DAV: 9 -0.383503484314E+03 0.54863E+00 -0.19366E+00 363 0.249E+00 0.132E+00
DAV: 10 -0.383427497176E+03 0.75987E-01 -0.17471E-01 318 0.106E+00 0.962E-01
DAV: 11 -0.383407223838E+03 0.20273E-01 -0.17247E-01 327 0.644E-01 0.811E-01
DAV: 12 -0.383377333785E+03 0.29890E-01 -0.76137E-02 363 0.553E-01 0.708E-01
DAV: 13 -0.383368114947E+03 0.92188E-02 -0.43336E-02 354 0.360E-01 0.541E-01
DAV: 14 -0.383359628626E+03 0.84863E-02 -0.21548E-02 336 0.413E-01 0.692E-01
DAV: 15 -0.383357808712E+03 0.18199E-02 -0.53052E-02 390 0.404E-01 0.475E-01
DAV: 16 -0.383358640813E+03 -0.83210E-03 -0.36012E-02 318 0.353E-01 0.391E-01
DAV: 17 -0.383359749162E+03 -0.11083E-02 -0.92646E-03 309 0.347E-01 0.201E-01
DAV: 18 -0.383366567781E+03 -0.68186E-02 -0.33835E-03 318 0.168E-01 0.102E-01
DAV: 19 -0.383377379978E+03 -0.10812E-01 -0.19579E-03 291 0.130E-01 0.724E-02
DAV: 20 -0.383387401128E+03 -0.10021E-01 -0.15329E-03 318 0.114E-01 0.390E-02
DAV: 21 -0.383393574586E+03 -0.61735E-02 -0.65383E-04 318 0.716E-02 0.480E-02
DAV: 22 -0.383396809319E+03 -0.32347E-02 -0.12497E-04 327 0.268E-02 0.417E-02
DAV: 23 -0.383401786674E+03 -0.49774E-02 -0.33656E-04 309 0.377E-02 0.201E-02
DAV: 24 -0.383403695496E+03 -0.19088E-02 -0.98516E-05 318 0.201E-02 0.235E-02
DAV: 25 -0.383404331719E+03 -0.63622E-03 -0.19681E-05 246 0.116E-02 0.105E-02
DAV: 26 -0.383405024822E+03 -0.69310E-03 -0.41023E-05 273 0.133E-02 0.951E-03
DAV: 27 -0.383405390515E+03 -0.36569E-03 -0.73447E-06 228 0.773E-03 0.524E-03
DAV: 28 -0.383405564455E+03 -0.17394E-03 -0.88789E-06 210 0.660E-03 0.279E-03
DAV: 29 -0.383405641101E+03 -0.76646E-04 -0.26441E-06 237 0.411E-03 0.292E-03
DAV: 30 -0.383405707164E+03 -0.66062E-04 -0.23382E-06 201 0.364E-03 0.361E-03
DAV: 31 -0.383405744231E+03 -0.37067E-04 -0.16218E-06 219 0.325E-03 0.167E-03
DAV: 32 -0.383405761614E+03 -0.17383E-04 -0.71180E-07 219 0.215E-03 0.164E-03
DAV: 33 -0.383405773357E+03 -0.11743E-04 -0.71541E-07 219 0.206E-03 0.919E-04
DAV: 34 -0.383405776432E+03 -0.30755E-05 -0.18191E-07 237 0.120E-03
1 F= -.38340578E+03 E0= -.38342229E+03 d E =0.495353E-01